5-[bis(azanyl)methylideneamino]-2-[hexanoyl(pyrrolidin-2-ylcarbonyl)amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[hexanoyl(pyrrolidin-2-ylcarbonyl)amino]pentanoic acid Openeye Name: 5-guanidino-2-[hexanoyl(pyrrolidine-2-carbonyl)amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[1-oxohexyl-[oxo(2-pyrrolidinyl)methyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[hexanoyl(pyrrolidine-2-carbonyl)amino]pentanoic acid Traditional Name: 2-[caproyl(prolyl)amino]-5-guanidino-valeric acid Formula: C17H31N5O4 MolecularWeight: 369.45914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C(CCCN=C(N)N)C(=O)O)C(=O)C1CCCN1

Isomeric SMILES

CCCCCC(=O)N(C(CCCN=C(N)N)C(=O)O)C(=O)C1CCCN1

InChI

InChI=1S/C17H31N5O4/c1-2-3-4-9-14(23)22(15(24)12-7-5-10-20-12)13(16(25)26)8-6-11-21-17(18)19/h12-13,20H,2-11H2,1H3,(H,25,26)(H4,18,19,21)